ChemDiv1_014250
TL;DR: ChemDiv1_014250 (CAS 393817-07-7) is a chemical compound with molecular formula C23H27N5O5S2 and molecular weight 517.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_014250, F0520-3276, ethyl 2-(2-((5-((furan-2-carboxamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-{2-[(5-{[(FURAN-2-YL)FORMAMIDO]METHYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H27N5O5S2 |
|---|---|
| Molecular Weight | 517.15 g/mol |
| LogP | 3.5744 |
| Topological Polar Surface Area | 128.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.1454 |
| Heavy Atoms | 35 |
| Complexity | 1217.462 |
Chemical Identifiers
| CAS Number | 393817-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NN=C(N3C)CNC(=O)C4=CC=CO4 |
Product Overview
ChemDiv1_014250 (CAS 393817-07-7), with molecular formula C23H27N5O5S2 and molecular weight 517.15 g/mol. IUPAC: ethyl 2-[2-[[5-[(furan-2-carbonylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_014250
Property Insights of ChemDiv1_014250
The XLogP value of 3.5744 indicates that ChemDiv1_014250 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014250. Following Lipinski's Rule of Five, ChemDiv1_014250 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014250?
The CAS number of ChemDiv1_014250 is 393817-07-7.
What is the molecular formula of ChemDiv1_014250?
The molecular formula of ChemDiv1_014250 is C23H27N5O5S2.
What is the molecular weight of ChemDiv1_014250?
The molecular weight of ChemDiv1_014250 is 517.15 g/mol.
Where can I buy ChemDiv1_014250?
You can request a quote for ChemDiv1_014250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014250?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.